[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid phthalimidomethyl ester Formula: C22H14N2O6S MolecularWeight: 434.42136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C22H14N2O6S/c25-20-16-8-4-5-9-17(16)21(26)23(20)13-30-22(27)14-10-11-19(18(12-14)24(28)29)31-15-6-2-1-3-7-15/h1-12H,13H2